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采用商业活性炭对水中苯氧羧酸类除草剂的吸附去除:实验与计算研究。

Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies.

机构信息

CEDECOR (Centro de Estudio de Compuestos Orgánicos), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (UNLP), Calle 115 y 47, 1900 La Plata, Argentina; CONICET (Consejo Nacional de Investigaciones Científicas y Técnicas), Argentina.

Instituto de Física del Sur (IFISUR), Departamento de Física, Universidad Nacional del Sur (UNS), CONICET, Av. L.N. Alem 1253, B8000CPB Bahía Blanca, Argentina; Universidad Tecnológica Nacional (UTN), 11 de Abril 461, B8000LMI Bahía Blanca, Argentina.

出版信息

J Contam Hydrol. 2018 Nov;218:84-93. doi: 10.1016/j.jconhyd.2018.10.003. Epub 2018 Oct 12.

DOI:10.1016/j.jconhyd.2018.10.003
PMID:30342836
Abstract

In this study, commercial activated carbons (GAB and CBP) were successfully used for the removal of two phenoxy acetic class-herbicides, 4-chloro-2-methyl phenoxy acetic acid and 2.4-dichlorophenoxy acetic acid (MCPA and 2.4-D) from aqueous solution. The adsorbent materials were characterized, and their equilibrium adsorption capacity was evaluated. The results suggest that the microporous properties of GAB activated carbon enhanced the adsorption capacity, in comparison to CBP carbon. Thus, the increasing in the ionic strength favored the adsorption removal of both pesticides, indicating that electrostatic interactions between the pollutant and the adsorbate surface are governing the adsorption mechanism, but increasing pH values decreased adsorption capacity. Experimental data for equilibrium was analyzed by two models: Langmuir and Freundlich. Finally, computational simulation studies were used to explore both the geometry and energy of the pesticides adsorption.

摘要

在这项研究中,商业活性炭(GAB 和 CBP)成功地用于从水溶液中去除两种苯氧乙酸类除草剂,4-氯-2-甲基苯氧乙酸和 2.4-二氯苯氧乙酸(MCPA 和 2.4-D)。对吸附剂材料进行了表征,并评估了它们的平衡吸附容量。结果表明,与 CBP 碳相比,GAB 活性炭的微孔性质增强了吸附能力。因此,离子强度的增加有利于两种农药的吸附去除,表明污染物和吸附剂表面之间的静电相互作用控制着吸附机制,但增加 pH 值会降低吸附能力。通过两种模型对平衡实验数据进行了分析:朗缪尔和弗伦德利希。最后,使用计算模拟研究来探索农药吸附的几何形状和能量。

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